N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[4-(3-phenoxypropyl)piperidin-1-yl]purine-2,6-diamine

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[4-(3-phenoxypropyl)piperidin-1-yl]purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[4-(3-phenoxypropyl)-1-piperidyl]purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[4-(3-phenoxypropyl)-1-piperidinyl]purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[4-(3-phenoxypropyl)piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-2-[[4-(3-phenoxypropyl)piperidino]amino]purin-6-yl]amine Formula: C30H44N8O MolecularWeight: 532.72336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NN5CCC(CC5)CCCOC6=CC=CC=C6

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NN5CCC(CC5)CCCOC6=CC=CC=C6

InChI

InChI=1S/C30H44N8O/c31-23-12-14-24(15-13-23)33-28-27-29(38(21-32-27)25-8-4-5-9-25)35-30(34-28)36-37-18-16-22(17-19-37)7-6-20-39-26-10-2-1-3-11-26/h1-3,10-11,21-25H,4-9,12-20,31H2,(H2,33,34,35,36)